[gmx-users] PBC in g_gyrate

singh singh at biophysik.chemie.uni-dortmund.de
Wed Jan 17 15:19:53 CET 2007


Dear Gromacs users,

I simulated 6 peptides in a cubical box. I want to calculate radius of
gyration for all the peptides together (in order to get a rough idea whether
they are coming together or not). But I am not sure whether g_gyrate takes
into account Periodic boundary conditions while calculating radius of
gyration for such a system.



Gurpreet Singh


University of Dortmund
Department of Chemistry
Physical Chemistry I  -  Biophysical Chemistry
Otto-Hahn Str. 6
D-44227 Dortmund
Office:   C1-06 room 176
Phone:  +49 231 755 3916

Fax:     +49 231 755 3901



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070117/3469245c/attachment.html>

More information about the gromacs.org_gmx-users mailing list